Match comparison for Fz (H) (t=200 au) (match type 17055)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916387000e-03 1.000000000000000e-04 4.530246916334596e-03 2.816548324342438e-13 4.530246916387405e-03 3.780517565665775e-13 PASS

Checks for this match

  • OpenMP builders have different values.
  • GPU builders have different values.
    • Intel® builders have different values.
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Detailed information

Reference: 0.004530246916387, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2022a_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2022a_ppc 4.530246916559524e-03 1.725243212180594e-13 1.725243212180594e-09 PASS
spack_intel-2022a_serial_omp 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
spack_foss-2022a_cuda_serial 4.530246916765457e-03 3.784568144982181e-13 3.784568144982181e-09 PASS